1XRQ
Crystal structure of active site F1-mutant E245Q soaked with peptide Phe-Leu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.560, 61.910, 80.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.800 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.970 |
High resolution limit [Å] | 2.780 | 2.780 |
Number of reflections | 6902 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.2 | 59.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 6000, Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |